SCHEMBL9698924

SCHEMBL9698924

S=C(NSc1ccccc1)c1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
TGFBR1 P36897 5/20 0.42
CSNK1D P48730 5/20 0.41
CSNK1E P49674 5/20 0.41
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TGFBR2 P37173 2/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
NTRK1 P04629 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
USP2 O75604 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9700029 0.82 PDE10A (0.50) PDE10ATGFBR1CSNK1DCSNK1ETGFBR2
SCHEMBL9752587 0.79 PDE10A (0.60) PDE10ATGFBR1CSNK1DCSNK1EALDH1A1
SCHEMBL9700052 0.77 PDE10A (0.47) PDE10ATGFBR1CSNK1DCSNK1EALDH1A1
SCHEMBL9699916 0.74 PDE10A (0.47) PDE10ATGFBR1CSNK1DCSNK1EALDH1A1
SCHEMBL7352490 0.74 PDE10A (0.60) PDE10ATGFBR1CSNK1DCSNK1ETGFBR2
SCHEMBL7377231 0.74 PDE10A (0.60) PDE10ATGFBR1CSNK1DCSNK1ETGFBR2
Bromide SCHEMBL9699922 0.74 PDE10A (0.56) PDE10ATGFBR1CSNK1DCSNK1EALDH1A1
SCHEMBL9199748 0.73 PDE10A (0.52) PDE10ATGFBR1CSNK1DCSNK1ETGFBR2
SCHEMBL11485609 0.73 TGFBR1 (0.57) PDE10ATGFBR1ALDH1A1MEN1KMT2A
SCHEMBL9297972 0.72 PDE10A (0.57) PDE10ATGFBR1CSNK1DCSNK1EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP disclosed